1-(3,4-dichlorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one

C24H26Cl2N2O3 — CID 10479409

IUPAC1-(3,4-dichlorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
SMILESCOc1ccc(C2=CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C24H26Cl2N2O3/c1-30-22-8-5-17(15-23(22)31-14-13-27-10-3-2-4-11-27)19-9-12-28(24(19)29)18-6-7-20(25)21(26)16-18/h5-9,15-16H,2-4,10-14H2,1H3
InChIKeyIVMHXRSBRWFJOD-UHFFFAOYSA-N
MW461.39 g/mol
LogP5.30
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one

1-(3,4-dichlorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one (PubChem CID 10479409) has the molecular formula C24H26Cl2N2O3 and a molecular weight of 461.39 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
PubChem CID10479409
Molecular FormulaC24H26Cl2N2O3
Molecular Weight461.39 g/mol
Exact Mass460.13
IUPAC Name1-(3,4-dichlorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
SMILESCOc1ccc(C2=CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C24H26Cl2N2O3/c1-30-22-8-5-17(15-23(22)31-14-13-27-10-3-2-4-11-27)19-9-12-28(24(19)29)18-6-7-20(25)21(26)16-18/h5-9,15-16H,2-4,10-14H2,1H3
InChIKeyIVMHXRSBRWFJOD-UHFFFAOYSA-N
XLogP5.30
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.39
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one (CID 10479409) is 1-(3,4-dichlorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one is COc1ccc(C2=CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one?
The InChIKey is IVMHXRSBRWFJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N2O3/c1-30-22-8-5-17(15-23(22)31-14-13-27-10-3-2-4-11-27)19-9-12-28(24(19)29)18-6-7-20(25)21(26)16-18/h5-9,15-16H,2-4,10-14H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one?
1-(3,4-dichlorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one has a molecular weight of 461.39 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 10479409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).